N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [2-(4-methylpiperazino)-2-(2-thienyl)ethyl]-(7-nitrobenzofurazan-4-yl)amine Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC2=CC=C(C3=NON=C23)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C(CNC2=CC=C(C3=NON=C23)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C17H20N6O3S/c1-21-6-8-22(9-7-21)14(15-3-2-10-27-15)11-18-12-4-5-13(23(24)25)17-16(12)19-26-20-17/h2-5,10,14,18H,6-9,11H2,1H3